Geometry & MOs

Info

ID:	206288
PubChem CID:	80225912
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	308.167083
ΔH_f, kcal/mol:	-32.21
Dipole, Da:	7.93
IP(EA), eV:	-9.17(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,3-trimethyl-4-[4-(methylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1(C(=O)N(CCN1CCOC2=CC=CC=C2C#N)C)C

DOS

IR

Vibrations